6-(aminomethyl)-1-methylbenzimidazol-2-amine

C9H12N4 — CID 84767207

IUPAC6-(aminomethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(CN)cc21
InChIInChI=1S/C9H12N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyJLFWMQBIOVCIDR-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.61
Rot. Bonds1

About 6-(aminomethyl)-1-methylbenzimidazol-2-amine

6-(aminomethyl)-1-methylbenzimidazol-2-amine (PubChem CID 84767207) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-(aminomethyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-1-methylbenzimidazol-2-amine
PubChem CID84767207
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-(aminomethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(CN)cc21
InChIInChI=1S/C9H12N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyJLFWMQBIOVCIDR-UHFFFAOYSA-N
XLogP0.61
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of 6-(aminomethyl)-1-methylbenzimidazol-2-amine (CID 84767207) is 6-(aminomethyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 6-(aminomethyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for 6-(aminomethyl)-1-methylbenzimidazol-2-amine is Cn1c(N)nc2ccc(CN)cc21.
What is the InChIKey of 6-(aminomethyl)-1-methylbenzimidazol-2-amine?
The InChIKey is JLFWMQBIOVCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,5,10H2,1H3,(H2,11,12).
What are the key properties of 6-(aminomethyl)-1-methylbenzimidazol-2-amine?
6-(aminomethyl)-1-methylbenzimidazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 84767207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).